ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate

C17H28N2O2 — CID 63910370

IUPACethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(CN1CC2CCC1C2)(NC1CC1)C1CC1
InChIInChI=1S/C17H28N2O2/c1-2-21-16(20)17(13-4-5-13,18-14-6-7-14)11-19-10-12-3-8-15(19)9-12/h12-15,18H,2-11H2,1H3
InChIKeyKKVMAMXBWZTOJM-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.93
Rot. Bonds7

About ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate

ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate (PubChem CID 63910370) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
PubChem CID63910370
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
SMILESCCOC(=O)C(CN1CC2CCC1C2)(NC1CC1)C1CC1
InChIInChI=1S/C17H28N2O2/c1-2-21-16(20)17(13-4-5-13,18-14-6-7-14)11-19-10-12-3-8-15(19)9-12/h12-15,18H,2-11H2,1H3
InChIKeyKKVMAMXBWZTOJM-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63911160
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(3,4-dimethylpyrrolidin-1-yl)propanoate
CID 79177875
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 63919318
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63910372
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[cyclopropyl(ethyl)amino]propanoate
CID 63911878
ethyl 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetate
CID 124526616
ethyl 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63921670
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
ethyl 2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63907702
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate
CID 63920321
ethyl 3-[cyclobutylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63927639
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)propanoate
CID 79670094

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate?
The IUPAC name of ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate (CID 63910370) is ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate?
The canonical SMILES for ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate is CCOC(=O)C(CN1CC2CCC1C2)(NC1CC1)C1CC1.
What is the InChIKey of ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate?
The InChIKey is KKVMAMXBWZTOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-21-16(20)17(13-4-5-13,18-14-6-7-14)11-19-10-12-3-8-15(19)9-12/h12-15,18H,2-11H2,1H3.
What are the key properties of ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate?
ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate has a molecular weight of 292.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoate is sourced from PubChem (CID 63910370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).